5-Hydroxy-3,4:7,8-dibenzocyclooct-1-yne - CAS 1027338-06-2

Catalog:	BB000931
Product Name:	5-Hydroxy-3,4:7,8-dibenzocyclooct-1-yne
CAS:	1027338-06-2
Synonyms:	2-tricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynol; tricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol

Technical Data

Patents

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Computed Properties

IUPAC Name:	tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol
Description:	5-Hydroxy-3,4:7,8-dibenzocyclooct-1-yne (CAS# 1027338-06-2) is a useful research chemical.
Molecular Weight:	220.27
Molecular Formula:	C16H12O
Canonical SMILES:	C1C(C2=CC=CC=C2C#CC3=CC=CC=C31)O
InChI:	InChI=1S/C16H12O/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-8,16-17H,11H2
InChI Key:	VEKJQXKBHZVGBK-UHFFFAOYSA-N
LogP:	2.67590

Publication Number	Title	Priority Date
WO-2021011927-A1	Complement inhibitor dosing regimens	20190718
WO-2021007111-A1	Viral vector therapy	20190705
US-2021214510-A1	Nanofibrillar cellulose hydrogel	20180525
US-2020390777-A1	Lipid prodrugs of mycophenolic acid and uses thereof	20171219
WO-2019118938-A1	Dosing regimens and related compositions and methods	20171215

PMID	Publication Date	Title	Journal
23013452	20121017	Post-assembly derivatization of electrospun nanofibers via strain-promoted azide alkyne cycloaddition	Journal of the American Chemical Society
21661087	20110816	Strain-promoted alkyne-azide cycloadditions (SPAAC) reveal new features of glycoconjugate biosynthesis	Chembiochem : a European journal of chemical biology
21226098	20110117	Convergent assembly and surface modification of multifunctional dendrimers by three consecutive click reactions	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

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Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.088815002
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1